2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; pyridine-3-carbaldehyde

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; pyridine-3-carbaldehyde Openeye Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoic acid; pyridine-3-carbaldehyde CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid; 3-pyridinecarboxaldehyde IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid; pyridine-3-carbaldehyde Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyric acid; nicotinaldehyde Formula: C24H24ClNO4 MolecularWeight: 425.90466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C=O

Isomeric SMILES

CCC(C)(C(=O)O)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl.C1=CC(=CN=C1)C=O

InChI

InChI=1S/C18H19ClO3.C6H5NO/c1-3-18(2,17(20)21)22-16-10-6-14(7-11-16)12-13-4-8-15(19)9-5-13;8-5-6-2-1-3-7-4-6/h4-11H,3,12H2,1-2H3,(H,20,21);1-5H